methyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate

C12H14FNO2 — CID 115033822

IUPACmethyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)C1CCc2cc(F)ccc2C1N
InChIInChI=1S/C12H14FNO2/c1-16-12(15)10-4-2-7-6-8(13)3-5-9(7)11(10)14/h3,5-6,10-11H,2,4,14H2,1H3
InChIKeyPDZDLAHSTHGDJK-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.56
Rot. Bonds1

About methyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate

methyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate (PubChem CID 115033822) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is methyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate
PubChem CID115033822
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Namemethyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate
SMILESCOC(=O)C1CCc2cc(F)ccc2C1N
InChIInChI=1S/C12H14FNO2/c1-16-12(15)10-4-2-7-6-8(13)3-5-9(7)11(10)14/h3,5-6,10-11H,2,4,14H2,1H3
InChIKeyPDZDLAHSTHGDJK-UHFFFAOYSA-N
XLogP1.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The IUPAC name of methyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate (CID 115033822) is methyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The canonical SMILES for methyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate is COC(=O)C1CCc2cc(F)ccc2C1N.
What is the InChIKey of methyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
The InChIKey is PDZDLAHSTHGDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-16-12(15)10-4-2-7-6-8(13)3-5-9(7)11(10)14/h3,5-6,10-11H,2,4,14H2,1H3.
What are the key properties of methyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate?
methyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-6-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 115033822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).